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返回ChemicalBook首页>CAS数据库列表>35303-76-5更多图谱> 4-(2-氨乙基)苯磺酰胺(35303-76-5)质谱(MS)

35303-76-5

4-(2-氨乙基)苯磺酰胺(35303-76-5)质谱(MS)

分子式:C8H12N2O2S

分子量: 200.26

InChI:InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)

InChIKey: FXNSVEQMUYPYJS-UHFFFAOYSA-N

Smiles:C1(S(N)(=O)=O)=CC=C(CCN)C=C1

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    Mass

    MS-IW-0027          
    p-(2-aminoethyl)benzenesulfonamide
    C8H12N2O2S          (Mass of molecular ion:    200)
    

       Source Temperature: 190 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          17.0       1.3
          18.0       6.6
          28.0       4.2
          30.0     100.0
          31.0       3.8
          39.0       2.7
          50.0       1.1
          51.0       2.3
          63.0       3.0
          64.0       2.2
          65.0       3.0
          77.0       3.0
          78.0       1.1
          89.0       8.0
          90.0      28.8
          91.0       8.2
         106.0       1.6
         107.0       5.2
         117.0       1.2
         118.0       1.9
         119.0       1.1
         154.0       2.1
         171.0       1.7
         200.0       5.5
         201.0       2.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C8 H12 N2 O2 S 0.033 g : 0.5 ml DMSO-d6
    p-(2-aminoethyl)benzenesulfonamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.741 B 7.386 C 4. D *1 2.767 E *1 2.702

         Hz     ppm     Int.
    

       3099.98   7.757    153
       3098.14   7.753    872
       3096.31   7.748    327
       3091.55   7.736    351
       3089.72   7.732   1000
       3087.89   7.727    197
       2955.93   7.397    840
       2947.51   7.376    766
       1588.99   3.976     37
       1116.46   2.794    156
       1114.50   2.789    181
       1108.15   2.773    486
       1101.81   2.757    455
       1100.95   2.755    468
       1093.63   2.737     36
       1086.18   2.718    471
       1079.35   2.701    471
       1072.88   2.685    179
       1071.04   2.680    152
    

in DMSO-d6

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KBr disc

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nujol mull

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